Applications of time-dependent density functional theory

被引:5
作者
Botti, Silvana [1 ]
机构
[1] CNRS CEA Ecole Polytech, Solides Irradies Lab, F-91128 Palaiseau, France
关键词
D O I
10.1238/Physica.Topical.109a00054
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The progress of experimental techniques makes more and more precise measurements available. Their interpretation requires improved theoretical tools. The time-dependent density functional theory (TDDFT) allows to study electronic excitations involved in spectroscopic experiments, possibly conserving a computational effort comparable to that of ground-state density functional theory. I will present some applications of TDDFT to the calculation of absorption and electron energy loss spectra in extended and finite systems, discussing the advantages and the limits of different approximation schemes.
引用
收藏
页码:54 / 60
页数:7
相关论文
共 50 条
[1]   QUANTUM THEORY OF DIELECTRIC CONSTANT IN REAL SOLIDS [J].
ADLER, SL .
PHYSICAL REVIEW, 1962, 126 (02) :413-+
[2]   Ab initio calculation of excitonic effects in the optical spectra of semiconductors [J].
Albrecht, S ;
Reining, L ;
Del Sole, R ;
Onida, G .
PHYSICAL REVIEW LETTERS, 1998, 80 (20) :4510-4513
[3]  
[Anonymous], HDB SYNCHROTRON RAD
[4]   ABINITIO CALCULATION OF THE MACROSCOPIC DIELECTRIC-CONSTANT IN SILICON [J].
BARONI, S ;
RESTA, R .
PHYSICAL REVIEW B, 1986, 33 (10) :7017-7021
[5]   Ab initio calculation of ε2(ω) including the electron-hole interaction:: Application to GaN and CaF2 [J].
Benedict, LX ;
Shirley, EL .
PHYSICAL REVIEW B, 1999, 59 (08) :5441-5451
[6]   Ab initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices -: art. no. 216803 [J].
Botti, S ;
Vast, N ;
Reining, L ;
Olevano, V ;
Andreani, LC .
PHYSICAL REVIEW LETTERS, 2002, 89 (21)
[7]  
BOTTI S, 2003, UNPUB
[8]  
Casida ME, 1995, RECENT ADV DENSITY F
[9]  
EHRENREICH H, 1966, P INT SCH PHYSICS EN, P106
[10]   Phase matching using an isotropic nonlinear optical material [J].
Fiore, A ;
Berger, V ;
Rosencher, E ;
Bravetti, P ;
Nagle, J .
NATURE, 1998, 391 (6666) :463-466